Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM40160
Substrate
n/a
Meas. Tech.
Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation
IC50
7598.93±n/a nM
Citation
 PubChem, PC Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation PubChem Bioassay (2007)[AID] 
Target
Name:
Estrogen receptor
Synonyms:
ER | ER-alpha | ESR | ESR1 | ESR1_HUMAN | Estradiol receptor | Estrogen receptor | Estrogen receptor (ER alpha) | Estrogen receptor (ER-alpha) | Estrogen receptor alpha (ER alpha) | Estrogen receptor alpha (ER) | NR3A1 | Nuclear receptor subfamily 3 group A member 1
Type:
Protein
Mol. Mass.:
66230.44
Organism:
Homo sapiens (Human)
Description:
P03372
Residue:
595
Sequence:
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
  
Inhibitor
Name:
BDBM40160
Synonyms:
(5Z)-2-(4-methylanilino)-4-oxo-5-[[1-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-3-indolyl]methylidene]-3-thiophenecarboxylic acid ethyl ester | (5Z)-4-keto-5-[[1-[2-keto-2-(tetrahydrofurfurylamino)ethyl]indol-3-yl]methylene]-2-(p-toluidino)thiophene-3-carboxylic acid ethyl ester | MLS000547995 | SMR000114516 | cid_6158954 | ethyl (5Z)-2-(4-methylanilino)-4-oxo-5-[[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]methylidene]thiophene-3-carboxylate | ethyl (5Z)-2-[(4-methylphenyl)amino]-4-oxidanylidene-5-[[1-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]methylidene]thiophene-3-carboxylate | ethyl 4-oxo-5-[(1-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-1H-indol-3-yl)methylene]-2-(4-toluidino)-4,5-dihydro-3-thiophenecarboxylate
Type:
Small organic molecule
Emp. Form.:
C30H31N3O5S
Mol. Mass.:
545.649
SMILES:
CCOC(=O)C1C(=O)C(S\C1=N/c1ccc(C)cc1)=Cc1cn(CC(=O)NCC2CCCO2)c2ccccc12 |w:19.21|
Structure:
Search PDB for entries with ligand similarity: